| SpectraBase Spectrum ID |
DpBBOmNr7rO |
| Name |
1-Cyclohexene-1-propanoic acid, 4-(1,1-dimethylethyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.177630011 u |
| Formula |
C14H24O2 |
| InChI |
InChI=1S/C14H24O2/c1-14(2,3)12-8-5-11(6-9-12)7-10-13(15)16-4/h5,12H,6-10H2,1-4H3 |
| InChIKey |
RGKFLDKDLHYQJO-UHFFFAOYSA-N |
| Molecular Weight |
224.344 g/mol |
| SMILES |
C1(=CCC(C(C)(C)C)CC1)CCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98772 |
